2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine

C15H23NO3 — CID 103067008

IUPAC2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COc1cc(OC)cc(OC)c1
InChIInChI=1S/C15H23NO3/c1-11(2)16-9-12(3)10-19-15-7-13(17-4)6-14(8-15)18-5/h6-8,11,16H,3,9-10H2,1-2,4-5H3
InChIKeyQVRGKTIDRNHBNE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.64
Rot. Bonds8

About 2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine

2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103067008) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
PubChem CID103067008
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COc1cc(OC)cc(OC)c1
InChIInChI=1S/C15H23NO3/c1-11(2)16-9-12(3)10-19-15-7-13(17-4)6-14(8-15)18-5/h6-8,11,16H,3,9-10H2,1-2,4-5H3
InChIKeyQVRGKTIDRNHBNE-UHFFFAOYSA-N
XLogP2.64
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine
CID 103067007
2-[(4-chloro-3-ethylphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103066944
[3-methoxy-4-[2-[(propan-2-ylamino)methyl]prop-2-enoxy]phenyl]methanol
CID 107743674
2-[(2-chloro-5-fluorophenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 114264288
2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066711
N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
CID 103066550
N-tert-butyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
CID 103066547
1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 157085885
3-methoxy-5-(2-methylidenebutoxy)benzonitrile
CID 103567099
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069640
1-(3,5-dimethoxyphenoxy)propan-2-one
CID 43411971
N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
CID 78530824

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine (CID 103067008) is 2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is QVRGKTIDRNHBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)16-9-12(3)10-19-15-7-13(17-4)6-14(8-15)18-5/h6-8,11,16H,3,9-10H2,1-2,4-5H3.
What are the key properties of 2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine?
2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103067008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).